(2Z)-2-ethylidene-3-hydroxyheptanenitrile

C9H15NO — CID 10630710

IUPAC(2Z)-2-ethylidene-3-hydroxyheptanenitrile
SMILESC/C=C(/C#N)C(O)CCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-9(11)8(4-2)7-10/h4,9,11H,3,5-6H2,1-2H3/b8-4-
InChIKeyLRNWDSBHMPDGSE-YWEYNIOJSA-N
MW153.22 g/mol
LogP2.01
Rot. Bonds4

About (2Z)-2-ethylidene-3-hydroxyheptanenitrile

(2Z)-2-ethylidene-3-hydroxyheptanenitrile (PubChem CID 10630710) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-hydroxyheptanenitrile.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-hydroxyheptanenitrile
PubChem CID10630710
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z)-2-ethylidene-3-hydroxyheptanenitrile
SMILESC/C=C(/C#N)C(O)CCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-9(11)8(4-2)7-10/h4,9,11H,3,5-6H2,1-2H3/b8-4-
InChIKeyLRNWDSBHMPDGSE-YWEYNIOJSA-N
XLogP2.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2Z)-2-ethylidene-3-hydroxyheptanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-hydroxyheptanenitrile?
The IUPAC name of (2Z)-2-ethylidene-3-hydroxyheptanenitrile (CID 10630710) is (2Z)-2-ethylidene-3-hydroxyheptanenitrile.
What is the SMILES notation for (2Z)-2-ethylidene-3-hydroxyheptanenitrile?
The canonical SMILES for (2Z)-2-ethylidene-3-hydroxyheptanenitrile is C/C=C(/C#N)C(O)CCCC.
What is the InChIKey of (2Z)-2-ethylidene-3-hydroxyheptanenitrile?
The InChIKey is LRNWDSBHMPDGSE-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-9(11)8(4-2)7-10/h4,9,11H,3,5-6H2,1-2H3/b8-4-.
What are the key properties of (2Z)-2-ethylidene-3-hydroxyheptanenitrile?
(2Z)-2-ethylidene-3-hydroxyheptanenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-hydroxyheptanenitrile is sourced from PubChem (CID 10630710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).